## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
H |
155 |
42 |
12448 |
◊ |
L |
x,y,z |
1_555 |
123 |
27 |
3494 |
1297.9 |
-11.9 |
0.343 |
25 |
9 |
1 |
0.779 |
2 |
|
A |
130 |
36 |
12511 |
◊ |
B |
x,y,z |
1_555 |
98 |
23 |
3164 |
1119.0 |
-8.1 |
0.445 |
24 |
9 |
1 |
0.779 |
Average: |
1208.5 |
-10.0 |
0.394 |
25 |
9 |
1 |
0.779 |
2 |
3 |
|
H |
72 |
22 |
12448 |
◊ |
A |
x,y,z |
1_555 |
72 |
22 |
12511 |
609.5 |
4.3 |
0.764 |
10 |
11 |
0 |
0.026 |
3 |
4 |
|
[MRQ]H:603 |
42 |
1 |
812 |
f |
H |
x,y,z |
1_555 |
82 |
29 |
12448 |
559.7 |
1.1 |
0.523 |
5 |
0 |
0 |
0.035 |
5 |
|
[MRQ]A:704 |
41 |
1 |
817 |
f |
A |
x,y,z |
1_555 |
86 |
29 |
12511 |
552.3 |
0.6 |
0.518 |
4 |
0 |
0 |
0.035 |
Average: |
556.0 |
0.9 |
0.520 |
5 |
0 |
0 |
0.035 |
4 |
6 |
|
H |
53 |
20 |
12448 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
51 |
15 |
12511 |
445.9 |
2.1 |
0.662 |
7 |
9 |
0 |
0.033 |
5 |
7 |
|
H |
37 |
13 |
12448 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
32 |
8 |
12511 |
318.2 |
1.3 |
0.650 |
3 |
4 |
0 |
0.000 |
6 |
8 |
|
L |
24 |
8 |
3494 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
24 |
6 |
12511 |
249.6 |
-2.0 |
0.391 |
5 |
0 |
0 |
0.000 |
9 |
|
H |
25 |
7 |
12448 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
25 |
8 |
3164 |
247.0 |
-2.4 |
0.356 |
4 |
0 |
0 |
0.000 |
Average: |
248.3 |
-2.2 |
0.373 |
5 |
0 |
0 |
0.000 |
7 |
10 |
|
[EDO]A:702 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
11 |
12511 |
113.7 |
2.1 |
0.258 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
H |
12 |
4 |
12448 |
x |
H |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
3 |
12448 |
112.5 |
1.9 |
0.565 |
2 |
2 |
0 |
0.000 |
9 |
12 |
|
[NAG]H:601 |
9 |
1 |
361 |
cf |
H |
x,y,z |
1_555 |
11 |
5 |
12448 |
109.2 |
2.5 |
0.330 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[EDO]A:703 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
12511 |
98.7 |
3.9 |
0.615 |
6 |
0 |
0 |
0.000 |
11 |
14 |
|
[NAG]A:701 |
8 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
9 |
4 |
12511 |
98.2 |
1.6 |
0.296 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[EDO]H:602 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
15 |
8 |
12448 |
97.3 |
3.8 |
0.602 |
5 |
0 |
0 |
0.000 |
13 |
16 |
|
[NA]H:604 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
21 |
11 |
12448 |
82.2 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.342 |
17 |
|
[NA]A:705 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
12511 |
79.8 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.342 |
Average: |
81.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.342 |
14 |
18 |
|
L |
11 |
3 |
3494 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
3 |
3164 |
76.2 |
-1.6 |
0.451 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
H |
9 |
4 |
12448 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
12511 |
58.6 |
0.6 |
0.700 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]A:702 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
3 |
1 |
12448 |
40.8 |
0.1 |
0.258 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[MRQ]H:603 |
3 |
1 |
812 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12511 |
20.7 |
-0.6 |
0.271 |
0 |
0 |
0 |
0.008 |
18 |
22 |
|
L |
2 |
2 |
3494 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
2 |
12511 |
15.7 |
0.2 |
0.691 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
H |
4 |
2 |
12448 |
◊ |
[MRQ]A:704 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
817 |
13.1 |
0.1 |
0.616 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[MRQ]H:603 |
2 |
1 |
812 |
f |
[EDO]H:602 |
x,y,z |
1_555 |
1 |
1 |
184 |
12.8 |
0.4 |
0.743 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[MRQ]A:704 |
3 |
1 |
817 |
f |
[EDO]A:703 |
x,y,z |
1_555 |
2 |
1 |
185 |
11.9 |
0.4 |
0.756 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
H |
2 |
2 |
12448 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
2 |
12511 |
11.0 |
-0.2 |
0.442 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
L |
1 |
1 |
3494 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
12511 |
6.0 |
0.3 |
0.840 |
0 |
0 |
0 |
0.000 |
|